[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] 4-(tert-butoxycarbonylamino)benzoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid [2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 4-(tert-butoxycarbonylamino)benzoic acid [2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC(=O)NCCC2=CC=CS2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C21H25N3O6S/c1-21(2,3)30-20(28)23-15-8-6-14(7-9-15)18(26)29-13-17(25)24-19(27)22-11-10-16-5-4-12-31-16/h4-9,12H,10-11,13H2,1-3H3,(H,23,28)(H2,22,24,25,27)